4-[(2R,3R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methylphosphanyloxy-2-(methylphosphanyloxymethyl)butyl]-2-methoxyphenol

C22H32O6P2 — CID 155415603

IUPAC4-[(2R,3R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methylphosphanyloxy-2-(methylphosphanyloxymethyl)butyl]-2-methoxyphenol
SMILESCOc1cc(C[C@@H](COPC)[C@H](COPC)Cc2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C22H32O6P2/c1-25-21-11-15(5-7-19(21)23)9-17(13-27-29-3)18(14-28-30-4)10-16-6-8-20(24)22(12-16)26-2/h5-8,11-12,17-18,23-24,29-30H,9-10,13-14H2,1-4H3/t17-,18-/m0/s1
InChIKeyLGNGEBDMCAZNCO-ROUUACIJSA-N
MW454.44 g/mol
LogP4.61
Rot. Bonds13

About 4-[(2R,3R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methylphosphanyloxy-2-(methylphosphanyloxymethyl)butyl]-2-methoxyphenol

4-[(2R,3R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methylphosphanyloxy-2-(methylphosphanyloxymethyl)butyl]-2-methoxyphenol (PubChem CID 155415603) has the molecular formula C22H32O6P2 and a molecular weight of 454.44 g/mol. Its IUPAC name is 4-[(2R,3R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methylphosphanyloxy-2-(methylphosphanyloxymethyl)butyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(2R,3R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methylphosphanyloxy-2-(methylphosphanyloxymethyl)butyl]-2-methoxyphenol
PubChem CID155415603
Molecular FormulaC22H32O6P2
Molecular Weight454.44 g/mol
Exact Mass454.17
IUPAC Name4-[(2R,3R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methylphosphanyloxy-2-(methylphosphanyloxymethyl)butyl]-2-methoxyphenol
SMILESCOc1cc(C[C@@H](COPC)[C@H](COPC)Cc2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C22H32O6P2/c1-25-21-11-15(5-7-19(21)23)9-17(13-27-29-3)18(14-28-30-4)10-16-6-8-20(24)22(12-16)26-2/h5-8,11-12,17-18,23-24,29-30H,9-10,13-14H2,1-4H3/t17-,18-/m0/s1
InChIKeyLGNGEBDMCAZNCO-ROUUACIJSA-N
XLogP4.61
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.44
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-(4-hydroxy-3-methoxyphenyl)ethane-1,1-diol
CID 146954758
[(2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-[3-(4-hydroxy-3-methoxyphenyl)propanoyloxy]butyl] 3-(4-hydroxy-3-methoxyphenyl)propanoate
CID 57393829
[(2R,3R)-2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methylphosphanyloxybutoxy]-methylphosphane
CID 155415599
4-(2-iodopropyl)-2-methoxyphenol
CID 89111818
1-(4-hydroxy-3-methoxyphenyl)butane-2,3-diol
CID 71398900
4-[(2R,3S)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
CID 11725068
4-[2-(hydroxyamino)propyl]-2-methoxyphenol
CID 45091599
4-(2-hydroxy-4-methylpentyl)-2-methoxyphenol
CID 139528685
3-(4-hydroxy-3-methoxyphenyl)-2-methoxypropanoic acid
CID 18443662
4-[(2R)-2-(ethylamino)propyl]-2-methoxyphenol
CID 100950888
4-(fluoromethyl)-2-methoxyphenol
CID 84650348
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol
CID 22599015

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methylphosphanyloxy-2-(methylphosphanyloxymethyl)butyl]-2-methoxyphenol?
The IUPAC name of 4-[(2R,3R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methylphosphanyloxy-2-(methylphosphanyloxymethyl)butyl]-2-methoxyphenol (CID 155415603) is 4-[(2R,3R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methylphosphanyloxy-2-(methylphosphanyloxymethyl)butyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(2R,3R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methylphosphanyloxy-2-(methylphosphanyloxymethyl)butyl]-2-methoxyphenol?
The canonical SMILES for 4-[(2R,3R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methylphosphanyloxy-2-(methylphosphanyloxymethyl)butyl]-2-methoxyphenol is COc1cc(C[C@@H](COPC)[C@H](COPC)Cc2ccc(O)c(OC)c2)ccc1O.
What is the InChIKey of 4-[(2R,3R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methylphosphanyloxy-2-(methylphosphanyloxymethyl)butyl]-2-methoxyphenol?
The InChIKey is LGNGEBDMCAZNCO-ROUUACIJSA-N. The full InChI is InChI=1S/C22H32O6P2/c1-25-21-11-15(5-7-19(21)23)9-17(13-27-29-3)18(14-28-30-4)10-16-6-8-20(24)22(12-16)26-2/h5-8,11-12,17-18,23-24,29-30H,9-10,13-14H2,1-4H3/t17-,18-/m0/s1.
What are the key properties of 4-[(2R,3R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methylphosphanyloxy-2-(methylphosphanyloxymethyl)butyl]-2-methoxyphenol?
4-[(2R,3R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methylphosphanyloxy-2-(methylphosphanyloxymethyl)butyl]-2-methoxyphenol has a molecular weight of 454.44 g/mol, XLogP of 4.61, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,3R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methylphosphanyloxy-2-(methylphosphanyloxymethyl)butyl]-2-methoxyphenol is sourced from PubChem (CID 155415603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).